ATR-FTIR Aldrich Spectra Database

10001

18.513 ATR-FTIR spectra of compounds from the Aldrich collection of the Sigma-Aldrich Company.

IChem Spectra Database

20001

13.557 ATR-FTIR spectra of compounds from fine chemical manufacturers in Japan.

Aldrich-IChem Package Spectra Database Volume 1-3

30001

36.639 ATR-FTIR spectra of compounds taken from either the Aldrich or the IChem databases with no duplication.

ATR-FTIR Database Upgrade B

30101-1

9.121 ATR-FTIR spectra from database version B.

ATR-FTIR Database Upgrade C

30101-2

4.543 ATR-FTIR spectra from database version C.

Aldrich Database Upgrade for ATR-FTIR Aldrich-Ichem Database 30001

30102

18.126 ATR-FTIR spectra of compounds in the IChem, Smiths Detection Ltd, and Nicodom database, which are not in the Aldrich Database P/N 10001. Please Note: Only available in combination with the Ichem Database P/N 20001.

Polymers and Polymer Additives Spectra Database

30002

4.520 selected ATR-FTIR spectra of polymers, plastics, polymer additives, plasticizers and packing materials.

Food Additives and Food Packaging Spectra Database

30003

2.762 ATR-FTIR spectra of substances added to food, including substances regulated by the FDA. Also spectra of indirect food additives: substances that come into contact with food such as packaging and processing substances.

Solvents Spectra Database

30004

667 ATR-FTIR spectra of solvents selected from the Aldrich and IChem Databases.

Organometallics and Inorganics Spectra Database

30005

2.149 ATR-FTIR spectra of Organometallic, Inorganic, Silanes, Boranes and Deuterium compounds selected from the Aldrich and IChem databases. 

Biochemicals Spectra Database

30006

5.343 ATR-FTIR spectra of Biochemicals selected from Aldrich and IChem and including vitamins, resins, starches, glycerides, fatty acids, sugars, carbohydrates, proteins and peptides. 

Aldehydes and Ketones Spectra Database

30007

3.482 ATR-FTIR spectra of Aliphatic and Aromatic Aldehydes and Ketones selected from the Aldrich and IChem databases. 

Alcohols and Phenols Spectra Database

30008

2.671 ATR-FTIR spectra of Alcohols and Phenols selected from the Aldrich and IChem databases.

Esters and Lactones Spectra Database

30009-1

4.170 ATR-FTIR spectra of esters and lactones selected from the Aldrich and IChem databases.

Anhydrides and Carboxylic Acids Spectra Database

30009-2

5.718 ATR-FTIR spectra of Anhydrides and Carboxylic Acids selected from the Aldrich and IChem databases.

Hydrocarbons Spectra Database

30010

1.175 ATR-FTIR spectra of Hydrocarbons and Halogenated Hydrocarbons selected from the Aldrich and IChem databases. 

Flavors, Fragrances, and Cosmetic Ingredients Spectra Database

30011

2.716 ATR-FTIR spectra of flavors, fragrances, and ingredients used in the cosmetic industry.

Pesticides Spectra Database

30012

1.820 selected ATR-FTIR spectra of pesticides including insecticides, herbicides, algaecides and fungicides

Semiconductor Chemicals Spectra Database

30013

919 selected ATR-FTIR spectra a of chemicals used in the Semiconductor industry.

Forensic Spectra Database

30014

3.579 ATR-FTIR spectra of compounds commonly of interest in the forensic laboratory.

Dyes, Pigments, and Stains Spectra Database

30015

2.867 ATR-FTIR spectra of selected dyes, pigments, stains and indicators.

Sulfur and Phosphorus Spectra Database

30016

5.336 ATR-FTIR spectra of sulfur and phosphorus containing compounds selected from the Aldrich and IChem databases. 

Hazardous Chemicals Spectra Database

30017

3.730 ATR-FTIR spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders and USCG Chris Hazardous Chemicals database. 

Hazardous and Toxic Chemicals Spectra Database

30018

8.136 ATR-FTIR spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders, the USCG Chris Hazardous Chemicals database, the NIOSH Guide to Chemical Hazards Databases and including chemicals regulated under the Toxic Substances Control Act.

Pharmaceuticals, Drugs, and Antibiotics Spectra Database

30020

2.715 ATR-FTIR spectra of active substances and aids commonly used in pharmaceutical industry.

High Production Volume (HPV) Chemicals Spectra Database

30021

1.315 ATR-FTIR spectra of substances included in the HPV Challenge Program Chemical List. The U.S. high production volume (HPV) chemicals are those, which are manufactured in or imported into the United States in amounts equal to or greater than one million pounds p.a.

Excipients Spectra Database

30022

852 ATR-FTIR spectra of pharmaceutical and cosmetic excipients.

White Powders Spectra Database

30023

697 ATR-FTIR spectra of commercially available white powders and white chemical substances.

Lubricants Spectra Database

30024

1.682 ATR-FTIR spectra of lubricants and oils, including motor specific oils, such as gear and hydraulic oils, anticorrosion oils, fuels, but also natural oils and essential oils.

Coatings Spectra Database

30025

1.809 ATR-FTIR spectra of common coating materials. Various types of coating including binders, fillers, resins, pigments, dyes. Also typical types of enamels, primers, lacquers, powder coatings, stoving varnishes in fresh and cured form and many other compounds.

Paints Spectra Database

30026

2.507 ATR-FTIR spectra of art materials used in historical and modern paintings. This databases was developed especially for paintings renovators and conservators, art museums and for forensic purposes. It includes spectra of pigments (historical, inorganic, synthetic), fillers, binders, glues, varnishes, conservation materials, proteins, gums, oils, waxes, balsams, natural and synthetic resins, dispersions, dyes (natural, from plants and animals, synthetic), carbohydrates, and many other related compounds like typical solvents and polymers, cleaning agents, thickeners, retarders, chemicals and more.

Selected Pure Compounds Spectra Database

30027

5.000 ATR-FTIR spectra of selected pure compounds for educational institutions.

Explosives Spectra Database

30103

405 ATR-FTIR spectra of explosive materials such as nitrates esters, nitro-aromatics, nitramines, etc.
(Spectra are not included in 30001)

FTIR KBr Spectra Database

40001

22.995 spectra measured using KBr sample prep methods.

FTIR Liquid Film Spectra Database

40004

7.018 spectra measured using Liquid Film sample prep methods.

FTIR Nujol Spectra Database

40005

21.127 spectra measured using Nujol sample prep methods (two volumes).

FTIR KBr Spectra Database Upgrade B (from database vers. B)

40101-1

1.156 spectra measured using KBr sample prep methods.

FTIR KBr Spectra Database Upgrade C (from database vers. C)

40101-2

775 spectra measured using KBr sample prep methods.

Polymer and Polymer Additives Spectra Database

50002

1.273 KBr & Liquid Film spectra of  polymers, plastics and polymer additives.

Food Additives and Food Packaging Spectra Database

50003

1.684 KBr & Liquid Film spectra of substances added to food, including substances regulated by the FDA. Also spectra of substances that come into contact with food such as packaging and processing.

Solvents Spectra Database

50004

668 KBr & Liquid Film spectra of solvents.

Organometallics and Inorganics Spectra Database

50005

1.445 KBr & Liquid Film spectra of Organometallic, Inorganic, Silanes, Boranes and Deuterium compounds.

Biochemicals Spectra Database

50006

4.590 KBr & Liquid Film spectra of Biochemicals including vitamins, resins, starches, glycerides, fatty acids, sugars, carbohydrates, proteins and peptides.

Aldehydes and Ketones Spectra Database

50007

4.226 KBr & Liquid Film spectra of Aliphatic and Aromatic Aldehydes and Ketones.

Alcohols and Phenols Spectra Database

50008

2.744 KBr & Liquid Film spectra of Alcohols and Phenols.

Esters and Lactones Spectra Database

50009-1

4.335 KBr & Liquid Film spectra of Esters and Lactones.

Anhydrides and Carboxylic Acids Spectra Database

50009-2

4.920 KBr & Liquid Film spectra of Carboxylic Acids and Anhydrides.

Hydrocarbons Spectra Database

50010

1.417 KBr & Liquid Film spectra of Hydrocarbons and Halogenated Hydrocarbons.

Flavors, Fragrances, and Cosmetic Ingredients Spectra Database

50011

1.912 KBr & Liquid Film spectra of flavors, fragrances, and ingredients used in the cosmetic industry.

Pesticides Spectra Database

50012

958 KBr & Liquid Film spectra of pesticides including insecticides, herbicides, algaecides and fungicides.

Semiconductor Chemicals Spectra Database

50013

664 KBr & Liquid Film spectra of chemicals used in the Semiconductor industry.

Forensic Spectra Database

50014

1.555 KBr & Liquid Film spectra of compounds commonly of interest in the forensic laboratory.

Dyes, Pigments, and Stains Spectra Database

50015

1.473 KBr & Liquid Film spectra of selected dyes, pigments, stains and indicators.

Sulfur and Phosphorus Spectra Database

50016

5.025 spectra of sulfur and phosphorus containing compounds

Hazardous Chemicals Spectra Database

50017

2.664 KBr & Liquid Film spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders and USCG Chris Hazardous Chemicals database

Hazardous and Toxic Chemicals Spectra Database

50018

6.604 KBr & Liquid Film spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders, the USCG Chris Hazardous Chemicals database, the NIOSH Guide to Chemical Hazards Databases and including chemicals regulated under the Toxic Substances Control Act.

Pharmaceuticals, Drugs, and Antibiotics Spectra Database

50020

2.806 KBr & Liquid Film spectra of active substances and aids commonly used in pharmaceutical industry

High Production Volume (HPV) Chemicals Spectra Database

50021

1.123 KBr & Liquid Film spectra of substances included in the HPV Challenge Program Chemical List. The US high production volume chemicals are those, which are  manufactured in or imported into the US in amounts equal to or greater than one million pounds p.a.

Excipients Spectra Database

50022

438 Transmission spectra of pharmaceutical and cosmetic excipients.

Takayama Plastics Additives Spectra Database

70101

650 Transmission spectra of antioxidants, plasticizers, lubricants, UV absorbers, light stabilizers, fillers, etc produced by Japanese chemical manufacturers.

Raman Spectra Database

60001

Complete collection of 8.694 Raman spectra.

Raman Database Upgrade B

60101-1

4.694 Raman spectra from database version B.

Raman Database Upgrade C

60101-2

2.152 Raman spectra from database version C.

Polymer and Polymer Additives Spectra Database

60002

929 Raman spectra of polymers, plastics and polymer additives.

Food Additives and Food Packaging Spectra Database

60003

1.075 spectra of substances added to food, including substances regulated by the FDA. Also spectra of indirect food additives: substances that come into contact with food such as packaging and processing.

Solvents Spectra Database

60004

469 Raman spectra of solvents.

Biochemicals Spectra Database

60006

1.900 Raman spectra of Biochemicals partly including vitamins, resins, starches, glycerides, fatty acids, sugars, carbohydrates, proteins and peptides. 

Aldehydes and Ketones Spectra Database

60007

1.079 Raman spectra of Aliphatic and Aromatic Aldehydes and Ketones. 

Alcohols and Phenols Spectra Database

60008

891 Raman spectra of Alcohols and Phenol.

Esters, Lactones, and Anhydrides Spectra Database

60009

2.935 Raman spectra of Carboxylic Acids, Esters, Lactones and Anhydrides.

Hydrocarbons Spectra Database

60010

565 Raman spectra of Hydrocarbons and Halogenated Hydrocarbons. 

Flavors, Fragrances, and Cosmetic Ingredients Spectra Database

60011

1.030 Raman spectra of flavors, fragrances, and ingredients used in the cosmetic industry. 

Pesticides Spectra Database

60012

468 Raman spectra of pesticides including insecticides, herbicides, algaecides and fungicides

Semiconductor Chemicals Spectra Database

60013

371 Raman spectra of chemicals used in the Semiconductor industry. 

Forensic Spectra Database

60014

748 Raman spectra of compounds commonly of interest in the forensic laboratory. 

Dyes, Pigments, and Stains Spectra Database

60015

300 Raman spectra of selected dyes, pigments, stains and indicators. 

Sulfur and Phosphorus Spectra Database

60016

977 Raman spectra of sulfur and phosphorus.

Hazardous Chemicals Spectra Database

60017

1.361 Raman spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders and USCG Chris Hazardous Chemicals database. 

Hazardous and Toxic Chemicals Spectra Database

60018

3.035 Raman spectra of chemicals included in the EPA Cameo Database for Chemical Emergencies and Responders, the USCG Chris Hazardous Chemicals database, the NIOSH Guide to Chemical Hazards Databases and including chemicals regulated under the Toxic Substances Control Act.

Pharmaceuticals, Drugs, and Antibiotics Spectra Database

60020

1.172 Raman spectra of active substances and aids commonly used in pharmaceutical industry.

High Production Volume (HPV) Chemicals Spectra Database

60021

697 Raman spectra of substances included in the HPV Challenge Program Chemical List. The U.S. high production volume (HPV) chemicals are those, which are manufactured in or imported into the United States in amounts equal to or greater than one million pounds p.a.

Minerals and Inorganic Materials Spectra Database

60022

1.419 Raman spectra of minerals and inorganic materials. (Spectral range 1500 – 200 cm^-1)

Minerals Spectra Database

60022-1

454 Raman spectra of minerals, extracted from database 60022. (Spectral range 1500 – 200 cm^-1). Spectra are not included in 60001.

Inorganic Materials Spectra Database

60022-2

965 Raman spectra of inorganic materials, extracted from database 60022. (Spectral range 1500 – 200 cm^-1).  Spectra are not included in 60001.

IR Hummel Industrial Polymers Volume 1-3

70001

Each compound in Volume 1 is identified by its IUPAC or common names. Volumes 2 and 3 additionally contain the chemical structure. All Associated legends quote references, inform about the origin and the synthesis of the polymers as well as the sample preparation. Each compound is identified by its IUPAC or common names and chemical structure.*

IR Hummel Industrial Polymers Volume 1

70002

1.910 IR spectra collection of polymers, elastomers and fibers consists of spectra of natural and synthetic construction polymers, natural and synthetic fibers, elastomers, miscellaneous resins like natural resins, paint and finishing resins, impregnation and casting resins, dispersion, moulding and printing inks, oils, fats, waxes, tars, inorganic compounds, adhesives, putties, cements, protective colloids, curing agents, initiators and activators, accelerators and modifiers.

IR Hummel Industrial Polymers Volume 2

70003

1.570 spectra: The following is a breakdown of the monomer classes presented in the database: Vinyl monomers, pyrolyzates, alcohols, phenols carboxylic acids and their salts, esters, anhydrides, amides, hydrazides, urethanes, cyanates, fulminates, heterocycles, amino and thiocarboxylic acids, sulphonamides, technical solvents and more.

IR Hummel Industrial Polymers Volume 3

70004

The database contains 1.520 FT-IR spectra within the following classes: antioxidants, stabilizer (including PVC stabilizer), light stabilizer, coloring agents, brightening agents, fillers, plasticizers, elasticators, extenders, processing agents, textile auxiliaries, vulcanization agents and rubber auxiliaries.

IR Hummel Defined Polymers

70011

2.900 polymer spectra with extensive sample information.

IR Hummel Defined Polymers, Basic Collection

70012

1.140 selected infrared spectra from the collection "Defined Polymers.

IR Hummel Infrared Surfactants Collection

70021

This database contains 1.020 spectra of surfactants. It has been compiled by Professor Dieter Hummel, University of Cologne in co-operation with Chemical Concepts.

IR Industrial Organic Chemicals

70031

20.330 Infrared spectra of 17.770 common organic compounds produced by chemical companies. 5,600 of these spectra are taken from literature spectra and recalculated from peak tables. In addition to the molecular structure, in most cases the following information is available: Chemical name, Purity, Melting point, Boiling point, Density, Molecular formula, Molecular weight, CAS-No, Measurement conditions, Resolution.*

Nicodom Kidney Stone Spectra Database

70051

1.668 transmission spectra of human kidney stones and related chemicals. This is a collection of compounds found in human kidney such as different types of oxalates, phosphates, urates, other minerals and their mixtures as well as stones of drug or organic origin.

Toronto Forensic Spectra Database

70061

This extensive library is one of the most widely-used collections of its kind for forensic scientists and investigators. The Toronto Forensic Library contains 3.800 FT-IR spectra of illegal and legal drugs, drug precursors and reagents used to prepare them and other substances encountered in forensic analysis.  The major divisions of substances are organic, inorganic, and natural and commercial products.

Please note:The spectra of this database were measured at the Forensic Laboratories of the Canadian Department of Health and Welfare in Toronto. (Spectral Range: 4000 cm^-1 to 650 cm^-1, Resolution: 2 cm^-1 or 4 cm^-1)

Near Infrared Spectra

70041

The Near Infrared Spectrum collection contains 1.900 common organic compounds each coming along with two spectra in the range of 3.800 – 7.200 cm^-1 and 6.300 - 10.500 cm^-1. All spectra have been recorded on a Bruker IFS 88 spectrometer at a spectral resolution of 2 cm^-2. Chemical structures and additional information are included: Chemical name, purity, melting point, boiling point, density, molecular formula, molecular weight, CAS-No, manufacturer's article number, path length.*